2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C15H31NO2 — CID 116769556

IUPAC2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCNC(COCC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-6-16-13(12-18-7-2)15(17-5)10-8-14(3,4)9-11-15/h13,16H,6-12H2,1-5H3
InChIKeyZTZIZNRXMAFMSK-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds7

About 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116769556) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116769556
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCNC(COCC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-6-16-13(12-18-7-2)15(17-5)10-8-14(3,4)9-11-15/h13,16H,6-12H2,1-5H3
InChIKeyZTZIZNRXMAFMSK-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116769556) is 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is CCNC(COCC)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is ZTZIZNRXMAFMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-16-13(12-18-7-2)15(17-5)10-8-14(3,4)9-11-15/h13,16H,6-12H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116769556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).